SCHEMBL14030848

SCHEMBL14030848

CC(C)(O)CCC[C@@H](CCC(=O)C(C)(C)O)[C@H]1CCC2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 11/20 0.73
▸ HDAC3 O15379 3/20 0.61
▸ HDAC6 Q9UBN7 3/20 0.61
▸ HDAC2 Q92769 2/20 0.58
▸ NR1I2 O75469 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ GC P02774 1/20 0.55
▸ PGR P06401 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ RXRA P19793 1/20 0.55
▸ CHRM3 P20309 1/20 0.55
▸ CNR1 P21554 1/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ AGTR1 P30556 1/20 0.55
▸ SLC6A4 P31645 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ PTGS2 P35354 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14005440 1.00 VDR (0.73) VDRHDAC3HDAC6HDAC2NR1I2
SCHEMBL14005544 1.00 VDR (0.73) VDRHDAC3HDAC6HDAC2NR1I2
SCHEMBL13392197 1.00 VDR (0.73) VDRHDAC3HDAC6HDAC2NR1I2
SCHEMBL14005325 0.95 VDR (0.65) VDRHDAC3HDAC6HDAC2
SCHEMBL13392172 0.93 VDR (0.84) VDRNR1I2ABCB11GCPGR
SCHEMBL13392705 0.93 VDR (0.84) VDRNR1I2ABCB11GCPGR
SCHEMBL3177008 0.93 VDR (0.84) VDRNR1I2ABCB11GCPGR
SCHEMBL14005556 0.88 VDR (0.78) VDR
SCHEMBL14005439 0.87 VDR (0.75) VDRNR1I2ABCB11GCPGR
SCHEMBL13392216 0.87 VDR (0.75) VDRNR1I2ABCB11GCPGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280859-A1 GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF BIOXELL S.P.A. (IT) 2008-11-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080280859-A1 GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF VDR, GC, CYP24A1 VDR 1/4885HDAC3 558/4885HDAC6 3518/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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